SCHEMBL9319978

SCHEMBL9319978

C=CCN(CC=C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP3A4 P08684 2/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 1/20 0.68
HIF1A Q16665 1/20 0.68
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
UTS2R Q9UKP6 2/20 0.43
LMNA P02545 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
ESR1 P03372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10404366 0.93 TDP1 (0.67) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3224698 0.89 TDP1 (0.82) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL9319300 0.88 ALDH1A1 (0.69) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29384978 0.88 ALDH1A1 (0.69) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL28008 0.88 ALDH1A1 (0.69) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL9319588 0.87 ALDH1A1 (0.67) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL4851834 0.86 ALDH1A1 (0.65) TDP1ALDH1A1CYP3A4HSD17B10HPGD
Allylamine SCHEMBL10404367 0.85 TDP1 (0.65) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10369908 0.85 TDP1 (0.65) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10434299 0.85 CYP3A4 (0.50) TDP1ALDH1A1CYP3A4HSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
US-4977132-A CONTAINING FLUORAN DERIVATIVE, PHTHALIDE DERIVATIVE, PHENOLIC COMPOUND; STORAGE STABILITY KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-12-11 US disclosed
EP-0349194-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-01-03 EP disclosed